Theoretical Study of H/D Isotope Effects on Nuclear Magnetic Shieldings Using an ab initio Multi-Component Molecular Orbital Method

Author： Udagawa Taro   Ishimoto Takayoshi   Tachikawa Masanori  

Publisher： MDPI

E-ISSN： 1420-3049|18|5|5209-5220

ISSN： 1420-3049

Source： Molecules, Vol.18, Iss.5, 2013-05, pp. : 5209-5220

Access to resources Favorite

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

H/D Isotope Effects in Hydrogen Bonded Systems

By Sobczyk Lucjan   Obrzud Monika   Filarowski Aleksander  

Molecules, Vol. 18, Iss. 4, 2013-04 ,pp. : 4467-4476

MDPI

Access to resources Recommend Favorite

Ab initio Study of Alkyl-oxonium Cations CnH2n+1OH2+, n=1,2,3,4

By Haitayan Frédéric   Muguet Francis F.  

International Journal of Molecular Sciences, Vol. 5, Iss. 4, 2004-08 ,pp. : 110-118

MDPI

Access to resources Recommend Favorite

Germacrene D Cyclization: An Ab Initio Investigation

By Setzer William N.  

International Journal of Molecular Sciences, Vol. 9, Iss. 1, 2008-01 ,pp. : 89-97

MDPI

Access to resources Recommend Favorite

Synthesis and Ab Initio/DFT Studies on 2-(4-methoxyphenyl)benzo[d]thiazole

By Arslan Hakan   Algül Öztekin  

International Journal of Molecular Sciences, Vol. 8, Iss. 8, 2007-08 ,pp. : 760-776

MDPI

Access to resources Recommend Favorite

1H-MAS-NMR Chemical Shifts in Hydrogen-Bonded Complexes of Chlorophenols (Pentachlorophenol, 2,4,6-Trichlorophenol, 2,6-Dichlorophenol, 3,5-Dichlorophenol, and p-Chlorophenol) and Amine, and H/D Isotope Effects on 1H-MAS-NMR Spectra

By Honda Hisashi  

Molecules, Vol. 18, Iss. 4, 2013-04 ,pp. : 4786-4802

MDPI

Access to resources Recommend Favorite